V022-5616 Screening compound: N-{4-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,3-dimethylbutanamide

V022-5616 Screening compound: N-{4-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,3-dimethylbutanamide
V022-5616 Screening compound: N-{4-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,3-dimethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-5616
N-{4-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,3-dimethylbutanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V022-5616

Molecular Formula

C23H27FN2O3 (C23 H27 FN2 O3)

Compound Name

N-{4-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,3-dimethylbutanamide

IUPAC name

N-{4-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}-33-dimethylbutanamide

SMILES

CC(C(N(Cc(cccc1)c1F)C1)=O)Oc(cc2)c1cc2NC(CC(C)(C)C)=O

InChI

InChI=1S/C23H27FN2O3/c1-15-22(28)26(13-16-7-5-6-8-19(16)24)14-17-11-18(9-10-20(17)29-15)25-21(27)12-23(2,3)4/h5-11,15H,12-14H2,1-4H3,(H,25,27)/t15-/m0/s1

InChI Key

MNHDMTAFHOUJNG-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19849442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.541

Distribution Coefficient, logD

4.541

Water Solubility, LogSw

-4.43

Polar Surface Area

47.730

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

V022-5616 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V022-5616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-5616?
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What is the minimum amount of V022-5616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-5616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-5616
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V022-5616 available by request